Cas no 148321-62-4 (1,2-Benzisoxazol-6-ol,3,7-dimethyl-)
148321-62-4 structure
Product Name:1,2-Benzisoxazol-6-ol,3,7-dimethyl-
CAS No:148321-62-4
MF:C9H9NO2
MW:163.173262357712
CID:100517
PubChem ID:136321300
Update Time:2025-04-18
1,2-Benzisoxazol-6-ol,3,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazol-6-ol,3,7-dimethyl-
- 1,2-Benzisoxazol-6-ol,3,7-dimethyl-(9CI)
- 3,7-dimethyl-1,2-benzoxazol-6-ol
- 3,7-DIMETHYL-2H-1,2-BENZOXAZOL-6-ONE
- 3,7-Dimethylbenzo[d]isoxazol-6-ol
- 148321-62-4
-
- Inchi： 1S/C9H9NO2/c1-5-8(11)4-3-7-6(2)10-12-9(5)7/h3-4,11H,1-2H3
- InChI Key： WATHKPVNISEZBW-UHFFFAOYSA-N
- SMILES： O1C2C(C)=C(C=CC=2C(C)=N1)O
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 46.3?2
1,2-Benzisoxazol-6-ol,3,7-dimethyl- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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